(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one

C14H17NO4 — CID 139795483

IUPAC(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H]1COC(c2ccccc2)O1
InChIInChI=1S/C14H17NO4/c1-8(16)11-12(15-13(11)17)10-7-18-14(19-10)9-5-3-2-4-6-9/h2-6,8,10-12,14,16H,7H2,1H3,(H,15,17)/t8-,10-,11-,12-,14?/m1/s1
InChIKeyPJYDTMXHIGQYAB-IECITPARSA-N
MW263.29 g/mol
LogP0.60
Rot. Bonds3

About (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one

(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one (PubChem CID 139795483) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one
PubChem CID139795483
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H]1COC(c2ccccc2)O1
InChIInChI=1S/C14H17NO4/c1-8(16)11-12(15-13(11)17)10-7-18-14(19-10)9-5-3-2-4-6-9/h2-6,8,10-12,14,16H,7H2,1H3,(H,15,17)/t8-,10-,11-,12-,14?/m1/s1
InChIKeyPJYDTMXHIGQYAB-IECITPARSA-N
XLogP0.60
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one with MolForge

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Related Compounds

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(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)methanediol
CID 20701635
(3S,4S)-1-(2,4-dimethoxyphenyl)-3-[(1R)-1-hydroxyethyl]-4-[(2S,4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one
CID 139603459
(1R,3S,7R,10S,12R)-12-phenyl-2,6,11,13-tetraoxatricyclo[8.4.0.03,7]tetradecan-5-one
CID 11185375
2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 14654084
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
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CID 22910957
[(2R,4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-methylbenzoate
CID 96925827
2-(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)propan-1-ol;ethane
CID 91105173
(3S,6R,7S)-4-methyl-9-phenyl-2,8,10-trioxa-4-azatricyclo[5.4.0.03,5]undecan-6-ol
CID 126591222
(2S)-2-[(2R,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine
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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one?
The IUPAC name of (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one (CID 139795483) is (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one?
The canonical SMILES for (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one is C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H]1COC(c2ccccc2)O1.
What is the InChIKey of (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one?
The InChIKey is PJYDTMXHIGQYAB-IECITPARSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8(16)11-12(15-13(11)17)10-7-18-14(19-10)9-5-3-2-4-6-9/h2-6,8,10-12,14,16H,7H2,1H3,(H,15,17)/t8-,10-,11-,12-,14?/m1/s1.
What are the key properties of (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one?
(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one has a molecular weight of 263.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one is sourced from PubChem (CID 139795483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).